0 mol 44 unq 0 iso 0 dist 7.98624 7.74211 6.14602 5.41578 7.03812 10.3047 numMergedOcc 0
1 mol 44 unq 1 iso 0 dist 7.98624 6.30655 7.41011 5.41578 7.03812 5.75226 numMergedOcc 0
2 mol 55 unq 0 iso 0 dist 8.61209 4.10983 9.39738 10.3681 8.37544 8.08985 numMergedOcc 0
3 mol 55 unq 1 iso 0 dist 5.7638 5.21228 9.39738 8.11218 8.37544 8.08985 numMergedOcc 0
4 mol 55 unq 2 iso 0 dist 8.55679 5.21228 9.9421 8.11218 4.92955 8.08985 numMergedOcc 0
5 mol 93 unq 0 iso 0 dist 8.52947 8.7353 8.55124 11.8293 8.42713 12.0188 numMergedOcc 0
6 mol 93 unq 1 iso 0 dist 8.84466 13.0411 8.55124 3.74136 8.42713 12.0188 numMergedOcc 0
7 mol 113 unq 0 iso 0 dist 8.28452 10.03 9.15172 5.93237 6.20553 8.17829 numMergedOcc 0
8 mol 113 unq 1 iso 0 dist 8.44004 3.97916 9.15172 7.14947 6.20553 8.17829 numMergedOcc 0
9 mol 128 unq 0 iso 0 dist 8.98367 12.3372 9.74232 10.8853 6.17362 8.87549 numMergedOcc 0
10 mol 128 unq 1 iso 0 dist 8.54297 6.81712 7.84837 5.34549 9.85832 8.65495 numMergedOcc 0
11 mol 147 unq 0 iso 0 dist 5.70772 6.56535 9.80939 5.78019 6.4752 8.47507 numMergedOcc 0
12 mol 147 unq 1 iso 0 dist 5.03663 5.25201 9.80939 4.52246 6.4752 8.47507 numMergedOcc 0
13 mol 147 unq 2 iso 0 dist 8.93916 8.29623 9.80939 5.88056 6.4752 8.47507 numMergedOcc 0
14 mol 173 unq 0 iso 0 dist 9.99743 5.13558 4.93595 9.37181 5.36078 5.5911 numMergedOcc 0
15 mol 173 unq 1 iso 0 dist 7.76856 7.11016 9.9855 5.86572 5.76772 4.9805 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 8.94464 11.9871 7.04782 5.80934 9.91705 14.0208 numMergedOcc 0
17 mol 247 unq 0 iso 0 dist 8.72346 4.89475 6.14554 10.8475 6.81743 11.2229 numMergedOcc 0
18 mol 247 unq 1 iso 0 dist 7.39069 11.9901 6.14554 6.88702 6.81743 11.2229 numMergedOcc 0
19 mol 274 unq 0 iso 0 dist 9.96682 15.9289 7.03782 5.80838 9.91748 14.01 numMergedOcc 0
